1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

C20H19ClN4O3S — CID 135222538

IUPAC1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)14-24-29(27,28)19-7-5-18(6-8-19)25-20(26)23-13-16-9-11-22-12-10-16/h1-12,24H,13-14H2,(H2,23,25,26)
InChIKeyGVTVISCKVKOIKR-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.54
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135222538) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135222538
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)14-24-29(27,28)19-7-5-18(6-8-19)25-20(26)23-13-16-9-11-22-12-10-16/h1-12,24H,13-14H2,(H2,23,25,26)
InChIKeyGVTVISCKVKOIKR-UHFFFAOYSA-N
XLogP3.54
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135222538) is 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is GVTVISCKVKOIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c21-17-3-1-15(2-4-17)14-24-29(27,28)19-7-5-18(6-8-19)25-20(26)23-13-16-9-11-22-12-10-16/h1-12,24H,13-14H2,(H2,23,25,26).
What are the key properties of 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 430.92 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135222538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).